#------------------------------------------
#
# peak 1
#
description	488874 to 500890 ms, PARAFAC2 model with 3 components- Peak 1
# mass spectrum (m/z - intensity)
50	0.0125085
51	0.0372293
52	0.00457216
53	0.0466264
54	0.0308657
55	0.238231
56	0.27115
57	0.393066
58	0.0608971
59	0.0312669
60	0.0215171
61	0.00397737
62	0.00183473
63	0.0112676
64	0.0143359
65	0.0646913
66	0.069141
67	0.0788512
68	0.0523034
69	0.133549
70	0.0811033
71	0.0323573
72	0.0480131
73	0.0440727
74	0.022814
75	0.0341947
76	0.00244745
77	0.0548211
78	0.0183351
79	0.0488604
80	0.00740529
81	0.0617743
82	0.0475182
83	0.0604352
84	0.285498
85	0.117867
86	0.615716
87	0.0959728
88	0.0016318
89	0.00454014
90	9.6415e-005
91	0.0789732
92	0.027685
93	0.0232993
94	0.301605
95	0.0537218
96	0.0159447
97	0.0469069
98	0.0157364
99	0.00929872
100	0.00427965
101	0.00915942
102	0.000585686
103	0.0254954
104	0.0212763
105	0.072908
106	0.0179149
107	0.00472992
108	0.00219681
109	0.0126494
110	0.0212585
111	0.0712557
112	0.0258065
113	0.00425256
115	0.00208389
117	0.0266916
118	0.0025838
119	0.00316589
120	0.00296215
121	0.0146387
122	0.0432274
123	0.00167525
124	8.68467e-006
125	0.000981791
126	0.00694474
127	0.00436901
128	0.00676832
129	0.0745969
130	0.000604066
131	6.40341e-006
132	3.05459e-005
133	0.00411638
134	0.00853306
135	0.000227531
136	8.55077e-005
138	0.000805478
139	0.00052088
146	0.123911
147	0.00753942
148	0.0783022
149	0.00438971
150	0.0109687
151	1.02799e-005
154	0.000962507
158	0.000279777
159	6.35547e-005
165	0.000479919
166	0.000396374
168	0.00054757
169	0.000351386
173	5.89354e-005
175	1.03077e-005
179	0.0011244
190	1.28919e-005
191	0.000802114
195	1.56613e-005
201	3.72394e-006
207	0.076584
208	0.00177326
209	0.00119858
210	9.92588e-005
213	4.63289e-007
219	0.000253072
220	0.000449894
222	7.56697e-006
233	2.37336e-005
249	8.37444e-006
250	4.75432e-005
272	1.26629e-005
281	0.0534619
282	0.00419131
283	0.000431285
286	3.34878e-005
314	3.08354e-006
315	1.69267e-005
331	9.88645e-006
341	1.45036e-005
366	1.56025e-005
368	2.59494e-005
395	8.10873e-006
405	4.49253e-005
446	2.96889e-005
458	1.6895e-005
466	9.57427e-006
467	8.51431e-006
506	3.18579e-006
510	2.44914e-005
514	8.98221e-005
520	1.15782e-005
521	7.10996e-006
524	0.000391133
529	9.45555e-006
# elution profile (minutes converted to milliseconds - intensity)
488874	136.506
489217	130.8
489560	124.471
489904	112.705
490247	105.941
490590	103.708
490934	94.1022
491277	80.8325
491620	77.6913
491963	59.2651
492307	55.0716
492650	54.5859
492993	50.9701
493337	62.9543
493680	70.6418
494023	75.4687
494367	74.7863
494710	69.4579
495053	75.9942
495397	77.2212
495740	76.5307
496083	81.6567
496427	88.9636
496770	97.8722
497113	98.9111
497457	101.749
497800	97.5242
498143	91.8064
498487	89.0019
498830	88.8224
499173	76.824
499516	81.3745
499860	75.309
500203	77.3916
500546	78.3607
500890	83.2869
#------------------------------------------
#
# peak 2
#
description	488874 to 500890 ms, PARAFAC2 model with 3 components- Peak 2
# mass spectrum (m/z - intensity)
51	0.00490703
52	0.00272206
53	0.0209894
54	0.00898523
55	0.141518
56	0.0635698
57	0.50797
58	0.0200238
59	0.00354386
61	0.00122701
62	0.0010479
63	0.00137417
65	0.00423426
66	0.0022365
67	0.0145078
68	0.0064057
69	0.05884
70	0.253283
71	0.732803
72	0.0395145
73	0.00158392
76	0.000249304
77	0.0082596
78	0.00140319
79	0.00365212
80	0.00277282
81	0.00273635
82	0.00215936
83	0.0114442
84	0.139791
85	0.220081
86	0.0391589
88	2.26483e-005
89	1.0138e-005
91	0.00369089
92	0.000798149
93	0.00947901
95	0.000517231
96	0.00198795
97	0.00379982
98	0.00265475
99	0.0106519
100	0.000755234
101	0.00147278
103	0.000797841
105	0.00953971
106	0.00148262
107	0.000834699
110	0.000646463
111	0.00106414
112	0.0591021
113	0.190564
114	0.0142345
115	0.000208117
117	0.00173115
118	1.16017e-005
119	0.000462322
121	0.000649128
125	0.000935934
126	0.00129593
127	0.00410155
128	0.00093199
129	0.00348568
130	4.2169e-006
131	1.14651e-006
133	0.000969745
134	0.000278262
135	0.000165325
136	0.00143435
140	0.0014205
141	0.00884255
154	0.00119508
156	0.015801
157	0.00182308
159	5.02299e-006
207	0.000827399
243	1.32988e-006
249	1.08162e-006
281	0.00147415
282	6.05214e-005
466	1.40139e-008
529	3.54391e-007
# elution profile (minutes converted to milliseconds - intensity)
488874	37.5862
489217	26.1008
489560	21.3025
489904	17.7091
490247	11.613
490590	5.02465
490934	0.9235
491277	1.29942
491620	0
491963	1.09825
492307	5.58055
492650	5.98757
492993	16.5727
493337	36.5791
493680	67.6888
494023	122.691
494367	185.604
494710	261.959
495053	299.131
495397	291.634
495740	249.344
496083	187.503
496427	115.893
496770	65.7151
497113	38.129
497457	20.5643
497800	12.7088
498143	6.44558
498487	1.12755
498830	0
499173	0
499516	0
499860	4.03464
500203	9.519
500546	25.643
500890	47.6387
#------------------------------------------
#
# peak 3
#
description	488874 to 500890 ms, PARAFAC2 model with 3 components- Peak 3
# mass spectrum (m/z - intensity)
50	0.000678404
51	0.0156735
52	0.0110272
53	0.0247137
54	0.0206667
55	0.110105
56	0.0317991
57	0.0306223
58	0.0171461
59	0.00942782
60	0.0118348
61	0.009681
62	0.00165825
63	0.00276273
64	0.0238899
65	0.0354409
66	0.0565267
67	0.0452752
68	0.0246522
69	0.0404402
70	0.00936859
71	0.00202252
76	0.000172722
77	0.0278466
78	0.00844307
79	0.106112
80	0.00884714
81	0.0654083
82	0.0179528
84	0.00598119
88	0.000122753
90	4.5351e-005
91	0.0154044
92	0.00201174
93	0.0064781
94	0.43252
95	0.0227311
96	0.018708
97	0.00588472
98	0.00223095
100	0.000231005
102	0.000404977
103	0.0147348
105	0.0209621
106	0.00987174
107	0.0011354
108	0.00126771
110	0.00688622
115	0.00131125
118	0.00172753
119	0.00178033
120	0.00739687
121	0.0700185
122	0.309144
123	0.019384
124	3.46938e-005
125	0.000250599
126	0.142496
127	0.0145164
128	0.000698889
130	0.000351531
131	0.000101664
132	7.82849e-005
133	0.00189238
134	0.00178253
135	0.000339437
139	0.000335385
140	2.02984e-005
141	8.87779e-005
151	5.29323e-005
159	7.01258e-005
163	0.000887993
164	0.000265602
165	0.000325853
175	1.38373e-005
179	0.00520037
190	9.52343e-005
191	0.00281789
192	0.00143076
193	0.0594367
194	0.0016505
195	9.93383e-006
201	8.60106e-006
207	0.104973
208	0.00333524
209	0.00271907
210	0.00014007
213	8.5481e-005
215	0.000188025
218	0.000314106
219	0.000612342
220	0.000540288
222	8.17665e-005
223	0.00481161
224	0.000328229
233	0.000163175
235	0.000372644
237	0.00916711
243	0.000237024
246	0.000240173
249	0.000421043
250	0.000255894
251	0.0907813
252	0.0112145
253	0.00370982
265	0.000200157
267	0.758349
268	0.186597
269	0.113042
270	0.00377038
272	4.3774e-005
281	0.0368533
282	0.0010585
283	0.000477463
285	0.000389125
286	1.74946e-005
314	8.82722e-006
315	5.86604e-005
322	0.000237234
331	1.26203e-005
341	3.1958e-005
366	4.55199e-005
368	8.78033e-006
395	0.000172055
405	5.79576e-005
446	0.00045418
447	0.000130871
458	2.2841e-005
466	2.6233e-005
467	2.22203e-005
506	6.32458e-007
510	7.13637e-005
514	3.41253e-005
520	1.0664e-005
521	1.12297e-005
529	3.32246e-005
# elution profile (minutes converted to milliseconds - intensity)
488874	24.1774
489217	28.0307
489560	28.0951
489904	32.9267
490247	47.9618
490590	68.7709
490934	101.799
491277	150.832
491620	196.487
491963	242.813
492307	262.356
492650	259.817
492993	242.332
493337	191.501
493680	152.335
494023	99.864
494367	72.7778
494710	60.3268
495053	44.1648
495397	42.3306
495740	41.5028
496083	46.0076
496427	39.0666
496770	40.9649
497113	37.4489
497457	37.0366
497800	35.7428
498143	34.5964
498487	32.4232
498830	30.5399
499173	30.3779
499516	29.3823
499860	30.3648
500203	28.1229
500546	27.2211
500890	27.1627
